Vitas-M small molecule compound
(5Z)-5-[(1-benzyl-2-methyl-1H-indol-3-yl)methylidene]-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192824
SMILES O=C1NC(=S)N(C(=O)/C/1=C\c1c(C)n(c2c1cccc2)Cc1ccccc1)c1ccccc1F
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H20FN3O2S MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20FN3O2S/c1-17-20(19-11-5-7-13-23(19)30(17)16-18-9-3-2-4-10-18)15-21-25(32)29-27(34)31(26(21)33)24-14-8-6-12-22(24)28/h2-15H,16H2,1H3,(H,29,32,34)/b21-15-InChIKey
UNFMYKANISNQDR-QNGOZBTKSA-NSynonyms
(5Z)5((1BENZYL2METHYL1HINDOL3YL)METHYLIDENE)1(2FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1BENZYL2METHYLINDOL3YL)METHYLIDENE)1(2FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C=C4C(=O)NC(=S)N(C4=O)C5=CC=CC=C5F
InChI=1SC27H20FN3O2Sc11720(1911571323(19)30(17)161893241018)152125(32)2927(34)31(26(21)33)2414861222(24)28h215H16H21H3(H293234)b2115
MFCD02777011
O=C1NC(=S)N(C(=O)C1=Cc1c(C)n(c2c1cccc2)Cc1ccccc1)c1ccccc1F
ZINC000000631967
ZINC00631967
ZINC631967
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